| SpectraBase Compound ID | CxOEzI8nt3N |
|---|---|
| InChI | InChI=1S/C55H100O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-53(56)57-48-39-41-54(6)47(43-48)35-36-49-51-38-37-50(55(51,7)42-40-52(49)54)45(5)33-34-46(9-2)44(3)4/h35,44-46,48-52H,8-34,36-43H2,1-7H3/t45-,46-,48+,49+,50-,51+,52+,54+,55-/m1/s1 |
| InChIKey | ADKULHNWRYTCMM-ASNMJZQWSA-N |
| Mol Weight | 793.4 g/mol |
| Molecular Formula | C55H100O2 |
| Exact Mass | 792.772332 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9hs1KMv4L8j |
|---|---|
| Name | .beta.-Sitosterol cerotate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C55H100O2 |
| InChI | InChI=1S/C55H100O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-53(56)57-48-39-41-54(6)47(43-48)35-36-49-51-38-37-50(55(51,7)42-40-52(49)54)45(5)33-34-46(9-2)44(3)4/h35,44-46,48-52H,8-34,36-43H2,1-7H3/t45-,46-,48+,49+,50-,51+,52+,54+,55-/m1/s1 |
| InChIKey | ADKULHNWRYTCMM-ASNMJZQWSA-N |
| Molecular Weight | 793.403 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)(C4)[H])C)[H])(CC[C@@]1([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-052b-4019100100-f0dbbca0b58ab72bf229 |
| Source of Spectrum | Y1-42-1515-1 |
| Synonyms | Hexacosanoic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexacosanoate [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexacosanoate [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexacosanoate |
| Wiley ID | 1565201 |